N-methyl-1-[2-(2-methylpyrazol-3-yl)-1-propan-2-ylpiperidin-3-yl]methanamine

C14H26N4 — CID 114554487

IUPACN-methyl-1-[2-(2-methylpyrazol-3-yl)-1-propan-2-ylpiperidin-3-yl]methanamine
SMILESCNCC1CCCN(C(C)C)C1c1ccnn1C
InChIInChI=1S/C14H26N4/c1-11(2)18-9-5-6-12(10-15-3)14(18)13-7-8-16-17(13)4/h7-8,11-12,14-15H,5-6,9-10H2,1-4H3
InChIKeyBNFKHTGTVGIUDE-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.80
Rot. Bonds4

About N-methyl-1-[2-(2-methylpyrazol-3-yl)-1-propan-2-ylpiperidin-3-yl]methanamine

N-methyl-1-[2-(2-methylpyrazol-3-yl)-1-propan-2-ylpiperidin-3-yl]methanamine (PubChem CID 114554487) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is N-methyl-1-[2-(2-methylpyrazol-3-yl)-1-propan-2-ylpiperidin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(2-methylpyrazol-3-yl)-1-propan-2-ylpiperidin-3-yl]methanamine
PubChem CID114554487
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC NameN-methyl-1-[2-(2-methylpyrazol-3-yl)-1-propan-2-ylpiperidin-3-yl]methanamine
SMILESCNCC1CCCN(C(C)C)C1c1ccnn1C
InChIInChI=1S/C14H26N4/c1-11(2)18-9-5-6-12(10-15-3)14(18)13-7-8-16-17(13)4/h7-8,11-12,14-15H,5-6,9-10H2,1-4H3
InChIKeyBNFKHTGTVGIUDE-UHFFFAOYSA-N
XLogP1.80
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-cyclopropyl-2-(2-methylpyrazol-3-yl)pyrrolidin-3-yl]-N-methylmethanamine
CID 114554500
N-methyl-1-[2-(3-methylimidazol-4-yl)-1-propan-2-ylazepan-3-yl]methanamine
CID 66117489
1-[2-(3-ethylimidazol-4-yl)-1-propan-2-ylazepan-3-yl]-N-methylmethanamine
CID 66133866
1-[2-(3-chloro-4-methylphenyl)-1-propan-2-ylpiperidin-3-yl]-N-methylmethanamine
CID 106818565
2-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]pyrazole-3-sulfonamide
CID 128977860
2,6-dimethyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]pyrimidin-4-amine
CID 154736804
N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]cyclopropanesulfonamide
CID 154756685
N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
CID 128989331
1-[2-(3-bromofuran-2-yl)-1-propan-2-ylpyrrolidin-3-yl]-N-methylmethanamine
CID 106889418
(2S,3S)-1-propan-2-yl-2-(2-propan-2-ylpyrazol-3-yl)pyrrolidin-3-amine
CID 178196710
N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-2-pyridin-3-ylacetamide
CID 154793435
N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 128981757

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(2-methylpyrazol-3-yl)-1-propan-2-ylpiperidin-3-yl]methanamine?
The IUPAC name of N-methyl-1-[2-(2-methylpyrazol-3-yl)-1-propan-2-ylpiperidin-3-yl]methanamine (CID 114554487) is N-methyl-1-[2-(2-methylpyrazol-3-yl)-1-propan-2-ylpiperidin-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(2-methylpyrazol-3-yl)-1-propan-2-ylpiperidin-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-(2-methylpyrazol-3-yl)-1-propan-2-ylpiperidin-3-yl]methanamine is CNCC1CCCN(C(C)C)C1c1ccnn1C.
What is the InChIKey of N-methyl-1-[2-(2-methylpyrazol-3-yl)-1-propan-2-ylpiperidin-3-yl]methanamine?
The InChIKey is BNFKHTGTVGIUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-11(2)18-9-5-6-12(10-15-3)14(18)13-7-8-16-17(13)4/h7-8,11-12,14-15H,5-6,9-10H2,1-4H3.
What are the key properties of N-methyl-1-[2-(2-methylpyrazol-3-yl)-1-propan-2-ylpiperidin-3-yl]methanamine?
N-methyl-1-[2-(2-methylpyrazol-3-yl)-1-propan-2-ylpiperidin-3-yl]methanamine has a molecular weight of 250.39 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(2-methylpyrazol-3-yl)-1-propan-2-ylpiperidin-3-yl]methanamine is sourced from PubChem (CID 114554487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).